N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide

C26H23N3O2S — CID 46323824

IUPACN-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)cc1
InChIInChI=1S/C26H23N3O2S/c1-3-19-6-10-21(11-7-19)27-26(31)20-8-12-22(13-9-20)29-25(30)17-16-24(28-29)32-23-14-4-18(2)5-15-23/h4-17H,3H2,1-2H3,(H,27,31)
InChIKeyHXKHEJOSVMPDIX-UHFFFAOYSA-N
MW441.56 g/mol
LogP5.51
Rot. Bonds6

About N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide

N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (PubChem CID 46323824) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
PubChem CID46323824
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC NameN-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)cc1
InChIInChI=1S/C26H23N3O2S/c1-3-19-6-10-21(11-7-19)27-26(31)20-8-12-22(13-9-20)29-25(30)17-16-24(28-29)32-23-14-4-18(2)5-15-23/h4-17H,3H2,1-2H3,(H,27,31)
InChIKeyHXKHEJOSVMPDIX-UHFFFAOYSA-N
XLogP5.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323885
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
N-butyl-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323886
N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323826
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide
CID 46323783
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(3-methoxypropyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323873
4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-ethylphenyl)benzamide
CID 53062286
4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869440
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylsulfanylphenyl)benzamide
CID 46323762
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The IUPAC name of N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (CID 46323824) is N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is CCc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The InChIKey is HXKHEJOSVMPDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-3-19-6-10-21(11-7-19)27-26(31)20-8-12-22(13-9-20)29-25(30)17-16-24(28-29)32-23-14-4-18(2)5-15-23/h4-17H,3H2,1-2H3,(H,27,31).
What are the key properties of N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide has a molecular weight of 441.56 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is sourced from PubChem (CID 46323824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).